N-[6-bicyclo[3.1.0]hexanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine

C15H24ClN3O — CID 105054640

IUPACN-[6-bicyclo[3.1.0]hexanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine
SMILESCCNC(c1c(Cl)cnn1CCOC)C1C2CCCC21
InChIInChI=1S/C15H24ClN3O/c1-3-17-14(13-10-5-4-6-11(10)13)15-12(16)9-18-19(15)7-8-20-2/h9-11,13-14,17H,3-8H2,1-2H3
InChIKeyOJDIRXGFNMQEOC-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.88
Rot. Bonds7

About N-[6-bicyclo[3.1.0]hexanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine

N-[6-bicyclo[3.1.0]hexanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine (PubChem CID 105054640) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is N-[6-bicyclo[3.1.0]hexanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[6-bicyclo[3.1.0]hexanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine
PubChem CID105054640
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC NameN-[6-bicyclo[3.1.0]hexanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine
SMILESCCNC(c1c(Cl)cnn1CCOC)C1C2CCCC21
InChIInChI=1S/C15H24ClN3O/c1-3-17-14(13-10-5-4-6-11(10)13)15-12(16)9-18-19(15)7-8-20-2/h9-11,13-14,17H,3-8H2,1-2H3
InChIKeyOJDIRXGFNMQEOC-UHFFFAOYSA-N
XLogP2.88
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[6-bicyclo[3.1.0]hexanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[6-bicyclo[3.1.0]hexanyl-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105042723
7-bicyclo[4.1.0]heptanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 115839462
1-(7-bicyclo[4.1.0]heptanyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105042506
[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-cyclopentylmethyl]hydrazine
CID 105204303
2-[5-[6-bicyclo[3.1.0]hexanyl(methylamino)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105038986
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-N-ethylpropan-1-amine
CID 114652893
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethylheptan-1-amine
CID 105054478
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(4,4-dimethylcyclohexyl)-N-methylmethanamine
CID 114655310
N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 105054576
[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methyl]hydrazine
CID 105342345
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N,2-diethylhexan-1-amine
CID 105054530
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-2-(2-methylpropylsulfanyl)ethanamine
CID 114653915

Frequently Asked Questions

What is the IUPAC name of N-[6-bicyclo[3.1.0]hexanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[6-bicyclo[3.1.0]hexanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine (CID 105054640) is N-[6-bicyclo[3.1.0]hexanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[6-bicyclo[3.1.0]hexanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[6-bicyclo[3.1.0]hexanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine is CCNC(c1c(Cl)cnn1CCOC)C1C2CCCC21.
What is the InChIKey of N-[6-bicyclo[3.1.0]hexanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine?
The InChIKey is OJDIRXGFNMQEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-3-17-14(13-10-5-4-6-11(10)13)15-12(16)9-18-19(15)7-8-20-2/h9-11,13-14,17H,3-8H2,1-2H3.
What are the key properties of N-[6-bicyclo[3.1.0]hexanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine?
N-[6-bicyclo[3.1.0]hexanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine has a molecular weight of 297.83 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-bicyclo[3.1.0]hexanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 105054640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).